2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one

C19H19N3O3 — CID 110104889

IUPAC2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one
SMILESCc1cn(C)c(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1
InChIInChI=1S/C19H19N3O3/c1-12-10-21(2)18(20-12)13-7-8-22(11-13)19(24)17-9-15(23)14-5-3-4-6-16(14)25-17/h3-6,9-10,13H,7-8,11H2,1-2H3
InChIKeyNIUHPOGSBWJZOD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.46
Rot. Bonds2

About 2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one

2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one (PubChem CID 110104889) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one
PubChem CID110104889
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one
SMILESCc1cn(C)c(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1
InChIInChI=1S/C19H19N3O3/c1-12-10-21(2)18(20-12)13-7-8-22(11-13)19(24)17-9-15(23)14-5-3-4-6-16(14)25-17/h3-6,9-10,13H,7-8,11H2,1-2H3
InChIKeyNIUHPOGSBWJZOD-UHFFFAOYSA-N
XLogP2.46
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 93480787
2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
CID 124947056
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
3-[2-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124951963
2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90638745
2-[3-(4-methoxyphenyl)azepane-1-carbonyl]chromen-4-one
CID 121147054
2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one
CID 121190459
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone
CID 125013817
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one (CID 110104889) is 2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one is Cc1cn(C)c(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1.
What is the InChIKey of 2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one?
The InChIKey is NIUHPOGSBWJZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-10-21(2)18(20-12)13-7-8-22(11-13)19(24)17-9-15(23)14-5-3-4-6-16(14)25-17/h3-6,9-10,13H,7-8,11H2,1-2H3.
What are the key properties of 2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one?
2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one has a molecular weight of 337.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 110104889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).